(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane

C19H29N3O2 — CID 124817621

IUPAC(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@@H](COc2ccccn2)CC12CN(C1CCOCC1)C2
InChIInChI=1S/C19H29N3O2/c1-21-9-5-16(13-24-18-4-2-3-8-20-18)12-19(21)14-22(15-19)17-6-10-23-11-7-17/h2-4,8,16-17H,5-7,9-15H2,1H3/t16-/m1/s1
InChIKeyLOULTCDQUILQRJ-MRXNPFEDSA-N
MW331.46 g/mol
LogP2.04
Rot. Bonds4

About (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane

(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 124817621) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID124817621
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCN1CC[C@@H](COc2ccccn2)CC12CN(C1CCOCC1)C2
InChIInChI=1S/C19H29N3O2/c1-21-9-5-16(13-24-18-4-2-3-8-20-18)12-19(21)14-22(15-19)17-6-10-23-11-7-17/h2-4,8,16-17H,5-7,9-15H2,1H3/t16-/m1/s1
InChIKeyLOULTCDQUILQRJ-MRXNPFEDSA-N
XLogP2.04
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane with MolForge

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Related Compounds

2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124818166
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole
CID 131654777
[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 124816295
(5-methyl-1,2-oxazol-3-yl)-[(8S)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124814269
(6-methyl-2-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817651
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783
(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131650235
2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
CID 171692982
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155851901

Frequently Asked Questions

What is the IUPAC name of (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane (CID 124817621) is (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane is CN1CC[C@@H](COc2ccccn2)CC12CN(C1CCOCC1)C2.
What is the InChIKey of (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is LOULTCDQUILQRJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-9-5-16(13-24-18-4-2-3-8-20-18)12-19(21)14-22(15-19)17-6-10-23-11-7-17/h2-4,8,16-17H,5-7,9-15H2,1H3/t16-/m1/s1.
What are the key properties of (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane?
(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 331.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 124817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).